smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
S1C(=CC=C1)CN.O=C1N(C(C2=C(C=CC=C12)N1C[C@@H](CCC1)C(=O)O)=O)CC1=CC=NC=C1>>S1C(=CC=C1)CNC(=O)[C@H]1CN(CCC1)C1=C2C(N(C(C2=CC=C1)=O)CC1=CC=NC=C1)=O | 5 |
C(C=C)(=O)N1C[C@H](C[C@@H]1COC)N1N=C(C(=C1NC)C(=O)N)Br.C(C)N1C(=NC2=C1C=CC(=C2)C#C)C>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>C(C)N1C(=NC2=C1C=CC(=C2)C#CC2=NN(C(=C2C(=O)N)NC)[C@@H]2CN([C@H](C2)COC)C(C=C)=O)C | 3 |
Br[C:2]1[S:6][C:5]([S:7]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]3[NH:21][N:20]=[N:19][N:18]=3)[CH:12]=2)(=[O:9])=[O:8])=[CH:4][CH:3]=1.[F:22][C:23]1[CH:24]=[C:25](B(O)O)[CH:26]=[C:27]([F:29])[CH:28]=1>>[F:22][C:23]1[CH:24]=[C:25]([C:2]2[S:6][C:5]([S:7]([NH:10][C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([C:17]4[NH:2... | 1 |
C(CC)N1CCC(CC1)C=1C=C(C=CC1)OS(=O)(=O)C(F)(F)F>CO[H].[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CS(=O)C.C=1C=CC(=CC1)P(CCCP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4>COC(C1=CC(=CC=C1)C1CCN(CC1)CCC)=O | 3 |
ClC1=NC(=NC(=C1)C)NC1=CC(=C(C=C1)N1C=NC(=C1)C)OC>CO[H].C[O-].[Na+]>COC=1C=C(C=CC1N1C=NC(=C1)C)NC1=NC(=CC(=N1)OC)C | 3 |
COC1=C(C=O)C(=CC=C1)OC.Cl.CN>CO[H].C(#N)[BH3-].[Na+]>CNCC1=C(C=CC=C1OC)OC | 3 |
O=CCCCCCC(=O)OCC.C(C)(=O)OC1C(C=2C(=NC(=C(N2)C2=CC=CC=C2)C2=CC=CC=C2)NC1)OC(C)=O>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(=O)OC1C(C=2C(=NC(=C(N2)C2=CC=CC=C2)C2=CC=CC=C2)N(C1)CCCCCCC(=O)OCC)OC(C)=O | 3 |
COC1=C(C=C(CBr)C=C1)OCCCOC.C(C)(C)(C)OC(=O)N1C[C@H]([C@@H](C1)CNC1=CC=C(C=C1)Cl)CC1=CC=CC=C1>>C(C1=CC=CC=C1)[C@H]1[C@@H](CNC1)CN(CC1=CC(=C(C=C1)OC)OCCCOC)C1=CC=C(C=C1)Cl | 5 |
[C-]#N.[Zn+2].[C-]#N.[Si](C)(C)(C(C)(C)C)OCC1=CC2=NC=CC(=C2S1)C=1C=C(C=C2CCCN(C12)[C@@H]1CN(CC1)C(=O)OC(C)(C)C)Cl>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>[Si](C)(C)(C(C)(C)C)OCC1=CC2=NC=CC(=C2S1)C=1C=C(C=C2CCCN(C12)[C@@H]1C... | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.ClC1=NC2=C(C=CC=C2C=C1)C1=CC=2C(NCCC2N1)=O>N(C)(C)C=O.[H-].[Na+]>O=C1NCCC2=C1C=C(N2)C=2C=CC=C1C=CC(=NC21)OC2CCN(CC2)C(=O)OC(C)(C)C | 3 |
[CH:1]1([S:4]([C:7]2[CH:21]=[CH:20][CH:19]=[CH:18][C:8]=2[CH2:9][N:10](C)[C:11](=O)C(F)(F)F)(=[O:6])=[O:5])[CH2:3][CH2:2]1.C(=O)([O-])[O-].[K+].[K+].[ClH:28]>CO.O.C1COCC1.O1CCOCC1>[ClH:28].[CH:1]1([S:4]([C:7]2[CH:21]=[CH:20][CH:19]=[CH:18][C:8]=2[CH2:9][NH:10][CH3:11])(=[O:6])=[O:5])[CH2:3][CH2:2]1 | 2 |
C(C1=CC=CC=C1)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C.O[C@@]1([C@@H](CCCC1)N1C=NC(=C1C1=CC=CC=C1)C(=O)O)COC>>C(C1=CC=CC=C1)[C@@H]1CN(CCN1C(=O)C=1N=CN(C1C1=CC=CC=C1)[C@H]1[C@@](CCCC1)(COC)O)C(=O)OC(C)(C)C | 5 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[C:4]([CH3:11])[CH:3]=1.[NH2:12][C@@H:13]([CH2:16][CH3:17])[CH2:14][OH:15].CCN(C(C)C)C(C)C>CS(C)=O>[CH3:11][C:4]1[CH:3]=[C:2]([NH:12][C@@H:13]([CH2:16][CH3:17])[CH2:14][OH:15])[CH:7]=[CH:6][C:5]=1[N+:8]([O-:10])=[O:9] | 2 |
O[CH2:2][C:3]1[CH:4]=[C:5]([C:11]#[N:12])[CH:6]=[C:7]([CH:10]=1)[C:8]#[N:9].CC1C=C(C#N)C=C(C=1)C#N.[Br:24]N1C(=O)CCC1=O>C1C=CC=CC=1.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Br:24][CH2:2][C:3]1[CH:4]=[C:5]([C:11]#[N:12])[CH:6]=[C:7]([CH:10]=1)[C:8]#[N:9] | 2 |
NC1=CC=C(C=C1)S.ClCC(=O)NCCCCCC(=O)NC1=NC2=CC=CC=C2C=C1>C1CCCO1.CCN(CC)CC>NC1=CC=C(C=C1)SCC(=O)NCCCCCC(=O)NC1=NC2=CC=CC=C2C=C1 | 3 |
S(Cl)(Cl)=O.[NH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][CH2:13][C:14]([OH:16])=[O:15])=[CH:8][CH:7]=1.[CH3:17]O>>[NH2:5][C:6]1[CH:7]=[CH:8][C:9]([CH2:12][CH2:13][C:14]([O:16][CH3:17])=[O:15])=[CH:10][CH:11]=1 | 1 |
C(CCCCC)Br.C(#N)C(C(=O)OCC)C1=C(C(=CC=C1)SC1=C(C=CC=C1)C)OC>N(C)(C)C=O.[H-].[Na+]>C(#N)C(C(=O)OCC)(CCCCCC)C1=C(C(=CC=C1)SC1=C(C=CC=C1)C)OC | 3 |
CC(C(=O)O)CC1=CC=C(C=C1)OC>O>COC1=CC=C2CC(C(C2=C1)=O)C | 3 |
C1(=CC=C(C=C1)OC)Br.C1(=CC=CC=C1)C1CNCCC1>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>COC1=CC=C(C=C1)N1CC(CCC1)C1=CC=CC=C1 | 3 |
C(C)(C)(C)C=1C=C([O-])C=C(C1)C(C)(C)C.C(C)(C)(C)C=1C=C([O-])C=C(C1)C(C)(C)C.C[SiH](C)[Zr+2](C1=C(CC=2C=CC3=C(C12)C=CC=C3)C)C3=C(CC=1C=CC2=C(C31)C=CC=C2)C>>[Cl-].[Cl-].C[SiH](C)[Zr+2](C1=C(CC=2C=CC3=C(C12)C=CC=C3)C)C3=C(CC=1C=CC2=C(C31)C=CC=C2)C | 5 |
CC(CCC)O.ClC1=NC=CC(=N1)C1=CN(C2=CC=CC=C12)C.FC(OC1=C(N)C=C(C(=C1)F)[N+](=O)[O-])F>O.C1(=CC=C(C=C1)S(=O)(=O)O)C>FC(OC1=C(C=C(C(=C1)F)[N+](=O)[O-])NC1=NC=CC(=N1)C1=CN(C2=CC=CC=C12)C)F | 3 |
C(#N)CC1=CC=C(C=C1)B(O)O.IC1=CN(C2=C1C(=NC=C2)OC)C(COC)CC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COCC(CC)N1C=C(C=2C(NC=CC21)=O)C2=CC=C(C=C2)CC#N | 3 |
C[Li].C(C)OCC.CN(C=1C=CC=C2C=C(NC12)C=1SC2(CN1)CCN(CC2)CC(=O)OC)S(=O)(=O)C=2SC=CC2>>OC(CN1CCC2(CN=C(S2)C=2NC3=C(C=CC=C3C2)N(S(=O)(=O)C=2SC=CC2)C)CC1)(C)C | 5 |
FC(C(=O)N[C@@H]1CCC2=CC=C(C=C12)C(=O)OC)(F)F>C1CCCO1.CSC.B>FC(CN[C@@H]1CCC2=CC=C(C=C12)C(=O)OC)(F)F | 3 |
N1C=CC2=CC=C(C=C12)B(O)O.BrC1=CC=C(C=C1)C1=NC2=C(N1C[C@H]1CN(CC1)C(=O)C1CC1)C=CC=C2>N(C)(C)C=O.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)C(=O)N1C[C@@H](CC1)CN1C(=NC2=C1C=CC=C2)C2=CC=C(C=C2)C... | 3 |
N1CCC(CC1)OC1=NC=C(C=C1)Cl.C(C)(C)OC(=O)C.C[C@@]1(NC(NC1=O)=O)CS(=O)(=O)Cl>>ClC=1C=CC(=NC1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C(NC(N1)=O)=O)C | 5 |
COC(C1=CC(=CC(=C1)N)N1C(=CC=C1C)C1=C(C=CC(=C1)Cl)OCC1=C(C(=CC=C1)F)F)=O>ClCCl.CCO[H].[OH-].[Na+]>ClC=1C=CC(=C(C1)C=1N(C(=CC1)C)C=1C=C(C(=O)O)C=C(C1)N)OCC1=C(C(=CC=C1)F)F | 3 |
[N+:1]([C:4]1[CH:24]=[CH:23][C:7]([CH2:8][O:9][C:10]([N:12]2[CH2:16][C@@H:15]([S:17][C:18](=[O:20])[CH3:19])[CH2:14][C@H:13]2[CH2:21][OH:22])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH3:25][N:26]([CH3:30])[C:27](Cl)=[O:28]>N1C=CC=CC=1.O>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([CH2:8][O:9][C:10]([N:12]2[CH2:16][C@@H:15]([S:17][C... | 1 |
C(=C)O>OCC(O)CO.N12CCN(CC1)CC2>C=CO.C1CN2CCN1CC2 | 3 |
N1CCNCCC1.FC(C1=CC=C(C=C1)S(=O)(=O)Cl)(F)F>ClCCl.CCN(CC)CC>FC(C1=CC=C(C=C1)S(=O)(=O)N1CCNCCC1)(F)F | 3 |
[H-].[Na+].[CH2:3]([OH:25])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].[Br:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]Br.Cl>CCCCCC.C1(C)C=CC=CC=1... | 1 |
COC=1C=C2CCC(CC2=CC1)=O>>COC=1C=C2CCC(CC2=CC1)N | 5 |
[C:1]([C:3]1[CH:15]=[CH:14][C:6]([O:7][CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10])=[CH:5][CH:4]=1)#[CH:2].I[C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[CH:18]=1>>[C:19]1([CH3:23])[CH:20]=[CH:21][CH:22]=[C:17]([C:2]#[C:1][C:3]2[CH:15]=[CH:14][C:6]([O:7][CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10])=[CH:5][CH:4]=2)[CH:18... | 1 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:13]([OH:15])=O)[CH2:10][O:11][CH3:12])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:16][NH:17][CH3:18].C(N(C(C)C)C(C)C)C.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>CN(C=O)C.O>[C:1]([O:5][C:6]([NH:8][C@H:9]([C:13]([N:17]([CH3:18])[CH3:16])=[O:15])[CH2:10][O:11][CH3:12])=[O:7])([CH... | 1 |
C(OC([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[N:14]([CH2:21][CH2:22][O:23][CH2:24][CH3:25])[CH:13]=2)[CH2:8][CH2:7]1)=O)C.[OH-].[K+]>C(O)(C)C>[CH2:24]([O:23][CH2:22][CH2:21][N:14]1[C:15]2[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:12]([CH:9]2[CH2:8][CH2:7][NH:6][CH2:11][CH2:10]... | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C2C=C(N=CC2=C1)C(=O)OCC>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C2C=C(N=CC2=C1)C(=O)O | 5 |
FC1=C(C#N)C=C(C=C1)\C=C\1/OC(C2=CC=CC=C12)=O>O.[OH-].[Na+].O.NN>FC1=C(C(=O)O)C=C(C=C1)CC1=NNC(C2=CC=CC=C12)=O | 3 |
O.[OH-].[Li+].C[O:5][C:6]([C:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[N:10]([C:17]2[C:26]3[C:21](=[CH:22][C:23]([C:27]([F:30])([F:29])[F:28])=[CH:24][CH:25]=3)[N:20]=[CH:19][CH:18]=2)[CH:9]=1)=[O:7]>O1CCCC1.O>[C:6]([C:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[N:10]([C:17]2[C:26]3[C:21](=[CH:22][C:23]... | 1 |
[O:1]=[C:2]1[CH:6]2[CH2:7][NH:8][CH2:9][CH2:10][N:5]2[C:4](=[O:11])[N:3]1[NH:12][C:13](=[O:32])[C@@H:14]([C@@H:19]([C:29]([OH:31])=[O:30])[CH2:20]/[CH:21]=[CH:22]/[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH2:15][CH:16]([CH3:18])[CH3:17].[CH2:33]=O>CO.[Pd]>[CH3:33][N:8]1[CH2:9][CH2:10][N:5]2[C:4](=[O:11])[N:3]([N... | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH2:13][CH:14](F)[C:15](Br)([F:17])[F:16])(=[O:10])=[O:9])=[CH:4][CH:3]=1.II>CO.[Zn]>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([S:8]([O:11][CH2:12][CH2:13][CH:14]=[C:15]([F:17])[F:16])(=[O:9])=[O:10])=[CH:6][CH:7]=1 | 2 |
[H-].[Na+].[CH2:3]([O:5][C:6]([C:8]1[NH:9][C:10]2[C:15]([CH:16]=1)=[CH:14][C:13]([Cl:17])=[CH:12][CH:11]=2)=[O:7])[CH3:4].Br[CH2:19][C:20]1[CH:25]=[C:24]([C:26]([CH3:29])([CH3:28])[CH3:27])[CH:23]=[CH:22][C:21]=1[O:30][CH3:31]>CN(C)C=O.O>[CH2:3]([O:5][C:6]([C:8]1[N:9]([CH2:19][C:20]2[CH:25]=[C:24]([C:26]([CH3:27])([CH3... | 1 |
[H-].[Na+].[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([OH:27])=[C:8]([CH2:10][N:11]2[N:15]=[C:14]([C:16]([NH:18][C:19]3[C:24]([F:25])=[CH:23][CH:22]=[CH:21][C:20]=3[F:26])=[O:17])[CH:13]=[N:12]2)[CH:9]=1.Br[CH2:29][CH2:30][CH2:31][CH3:32].Cl>CN(C)C=O.O>[CH2:29]([O:27][C:7]1[CH:6]=[CH:5][C:4]([Cl:3])=[CH:9][C:8]=1[CH2:10][N:11]1[N:... | 2 |
BrC1=C(C=CC2=CC=CC=C12)COC1C(CN(CC1)C(C1=CC=CC=C1)=O)O>C1CCCO1.CCN(CC)CC.CS(=O)(=O)Cl>BrC1=C(C=CC2=CC=CC=C12)COC1C(CN(CC1)C(C1=CC=CC=C1)=O)OS(=O)(=O)C | 3 |
[Cl:1][C:2]1[C:3]2[C:10](I)=[CH:9][N:8]([CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:19])([CH3:18])[CH3:17])[C:4]=2[N:5]=[CH:6][N:7]=1.[NH2:20][C:21]1[CH:26]=[CH:25][C:24]([SH:27])=[CH:23][CH:22]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.[Cu]I>[Cl:1][C:2]1[C:3]2[C:10]([S:27][C:24]3[CH:25]=[CH:26][C:21]([NH2:20])=[CH:22][CH:23... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12](/[CH:13]=[CH:14]/[C:15]3[S:16][C:17]([C:21]([OH:23])=O)=[C:18]([CH3:20])[N:19]=3)=[C:11]([CH3:24])[N:10]=[N:9]2)=[CH:4][CH:3]=1.[CH:25]([NH2:28])([CH3:27])[CH3:26]>>[CH:25]([NH:28][C:21]([C:17]1[S:16][C:15](/[CH:14]=[CH:13]/[C:12]2[N:8]([C:5]3[CH:6]=[CH:7][C:2]([F:1])=[CH:3][C... | 1 |
COCCCOC=1C=C(C[C@@H](C[C@@H]([C@H](CNC(=O)N2CCCCC2)O)NC(=O)OC(C)(C)C)C(C)C)C=CC1OC>>COCCCOC=1C=C(C[C@@H](C[C@@H]([C@H](CNC(=O)N2CCCCC2)O)N)C(C)C)C=CC1OC | 5 |
ClC=1C=C(CBr)C=CC1.ClC1=CC=C(C(=C1C(=O)NC1=CC=C(C=C1)CC(=O)OCC)F)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C(=C1C(=O)NC1=CC=C(C=C1)CC(=O)OCC)F)OCC1=CC(=CC=C1)Cl | 3 |
C[S-].[Na+].ClC1=NC=C(C=C1)CCl>>ClC1=NC=C(C=C1)CSC | 5 |
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([N:7]=[CH:8][C:9](=[O:16])[N:10]2[CH2:13][CH:14]=C)=[CH:5][CH:4]=1.I([O-])(=O)(=O)=[O:18].[Na+]>CC(O)CC.O.[Os](=O)(=O)(=O)=O>[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([N:7]=[CH:8][C:9](=[O:16])[N:10]2[CH2:13][CH:14]=[O:18])=[CH:5][CH:4]=1 | 1 |
BrC=1C=C(C=CC1)C(CC(C(F)(F)F)=O)=O>O.[OH-].[Na+].Cl.NO>BrC=1C=C(C=CC1)C1=NOC(C1)(O)C(F)(F)F | 3 |
N1C2=C(CCCC1)C=CC=C2>O.C(C)(=O)O.N(=O)[O-].[Na+]>N(=O)N1CCCCC2=C1C=CC=C2 | 3 |
[Si](C)(C)(C(C)(C)C)O[C@@H]1[C@H](CNC1)O.C(C)(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=CC=C(OCCC(=O)O)C=C2)C=C1>N(C)(C)C=O.c1ccncc1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>[Si](C)(C)(C(C)(C)C)O[C@H]1CN(C[C@@H]1O)C(CCOC1=CC=C(CNC(=O)C2=CC=C(CNC(OC(C)(C)C)=O)C=C2)C=C1)=O | 3 |
[N:1]1([C:8]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11]([C:18]#[N:19])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][NH:2]1.C([BH3-])#N.[Na+].[F:24][C:25]([F:30])([F:29])[C:26](O)=O.O.FC(F)(F)C=O>ClCCCl.ClCCl.O>[F:24][C:25]([F:30])([F:29])[CH2:26][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:1]1[C:8]1[C:... | 2 |
[H-].[Na+].O[CH2:4][CH:5]=[CH:6][CH2:7][CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10].[Cl:14][C:15]([Cl:19])([Cl:18])[C:16]#[N:17].C([OH:22])C>CCOCC>[Cl:14][C:15]([Cl:19])([Cl:18])[C:16]([NH:17][CH:6]([CH:5]=[CH2:4])[CH2:7][CH2:8][C:9]([O:11][CH2:12][CH3:13])=[O:10])=[O:22] | 1 |
N1(C=NC2=C1C=CC=C2)CC2=CC=C(C=C2)C=2OC(=C(N2)CO)C>ClCCl.ClS(Cl)=O>ClCC=1N=C(OC1C)C1=CC=C(CN2C=NC3=C2C=CC=C3)C=C1 | 3 |
N1CCC1.[2H]C1(OCC=2C=3C(=N[C@H](C4=NC(=NN4C3SC2OC1([2H])[2H])C(=O)OCC)C)C1=C(C=CC=C1F)F)[2H]>C1CCCO1.C(C)(C)[Mg]Cl>N1(CCC1)C(=O)C1=NN2C=3SC=4OC(C(OCC4C3C(=N[C@H](C2=N1)C)C1=C(C=CC=C1F)F)([2H])[2H])([2H])[2H] | 3 |
COC1=C(C=C2C=CC(=NC2=C1)C)C1=CN=C(N1)[C@H](CCCCCC(=O)C=1OC=CN1)NC(=O)C1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1>ClCCl.C(=O)(C(F)(F)F)O>COC1=C(C=C2C=CC(=NC2=C1)C)C1=CN=C(N1)[C@H](CCCCCC(=O)C=1OC=CN1)NC(=O)C1CCC2(CNC2)CC1 | 3 |
COC(C1=CC=C(C=C1)SC1=CC=C(C=C1)CN1CCOCC1)=O>>N1(CCOCC1)CC1=CC=C(C=C1)SC1=CC=C(C(=O)O)C=C1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([N:9]([C:13]2[C:22]3[C:17](=[CH:18][C:19]([O:26][CH2:27][CH2:28][CH2:29][N:30]4[CH2:35][CH2:34][O:33][CH2:32][CH2:31]4)=[C:20]([N+:23]([O-])=O)[CH:21]=3)[N:16]=[CH:15][N:14]=2)[C:10](=[O:12])[CH3:11])[CH:5]=[CH:6][C:7]=1[F:8].[H][H]>[Pt].CO.C1COCC1>[NH2:23][C:20]1[CH:21]=[C:22]2[C:17](=[CH:18][... | 2 |
[C:1]([C:5]1[S:9][C:8]([NH2:10])=[C:7]([C:11]([OH:13])=[O:12])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[Cl:14][C:15]1[C:20]([Cl:21])=[CH:19][CH:18]=[CH:17][C:16]=1[N:22]=[C:23]=[O:24]>C1COCC1>[C:1]([C:5]1[S:9][C:8]([NH:10][C:23]([NH:22][C:16]2[CH:17]=[CH:18][CH:19]=[C:20]([Cl:21])[C:15]=2[Cl:14])=[O:24])=[C:7]([C:11]([OH:13]... | 1 |
C(C)O.O.S1C(=CC2=C1C=CC=C2)CC#N>>S1C=C(C2=C1C=CC=C2)CC(=O)O | 5 |
[N+:1]([C:4]1[CH:5]=[C:6]([C:10]2[CH:14]=[C:13]([CH:15](C)[CH2:16][CH:17]=O)[O:12][N:11]=2)[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].[CH3:20][O:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[N:28]1[CH2:33][CH2:32]C[CH2:30][CH2:29]1.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].[CH2:48]([N:55]1CCNCC1)C1C=CC=CC=1>C(Cl)Cl>[CH3:20][O:... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1(CC(CN1)O)C>O.C1CCCO1.C([O-])([O-])=O.[Na+].[Na+]>OC1CC(N(C1)C(=O)OC(C)(C)C)(C)C | 3 |
C(C)(C)C1=C(C(=CC=C1)C(C)C)O>O.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.C(C)(=O)O>C(C)(=O)OC1=C(C=CC=C1C(C)C)C(C)C | 3 |
[N+](=O)([O-])C=1C=C(C=CC1)N1CCNCC1.CS(=O)(=O)OCCCC=1NC(C2=CC(=CC=C2C1)F)=O>CC#N.Cl.[I-].[Na+].C(O)([O-])=O.[Na+]>FC1=CC=C2C=C(NC(C2=C1)=O)CCCN1CCN(CC1)C1=CC(=CC=C1)[N+](=O)[O-] | 3 |
[Cl-].O[C@H]1COCC[C@@H]1[NH3+].CC1=C(C(=NO1)C=1C=NC(=CC1)C)COC1=CC=C(C=N1)C(=O)O>>O[C@H]1COCC[C@@H]1NC(=O)C=1C=NC(=CC1)OCC=1C(=NOC1C)C=1C=NC(=CC1)C | 5 |
O1C(=CC=C1)C(C)N1CCOCC1>BrBr.ClCCl>BrC1=CC=C(O1)C(C)N1CCOCC1 | 3 |
ClC=1C=C(C=C(C1)Cl)C(=O)C1=NC(=NC(=C1C(C)C)OC)OC>Cl>ClC=1C=C(C(=O)C2=C(C(NC(N2)=O)=O)C(C)C)C=C(C1)Cl | 3 |
CC1=C2C=C(NC2=C(C=C1)[N+](=O)[O-])C(=O)OCC>O.C1CCCO1.CO[H].Cl.[OH-].[Na+]>CC1=C2C=C(NC2=C(C=C1)[N+](=O)[O-])C(=O)O | 3 |
BrC=1C=C(C=CC1)NC1=C(C=NC2=CC(=C(C=C12)OC)OC)C#N>N.Cl.N1=CC=CC=C1>BrC=1C=C(C=CC1)NC1=C(C=NC2=CC(=C(C=C12)O)O)C#N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][C:3]=1[N:9]1[C:13](=[O:14])[C:12]2[CH2:15][CH2:16][CH2:17][CH2:18][C:11]=2[C:10]1=[O:19].[CH:20](I)([CH3:22])[CH3:21].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH:20]([CH3:22])[CH3:21])=[CH:4][C:3]=1[N:9]1[C:13](=[O:14])[C:12]2[CH2:15][CH2:16][CH2:... | 1 |
[CH3:1][C:2]1([C:18]2[CH:19]=[C:20]([NH:24][S:25]([CH3:28])(=[O:27])=[O:26])[CH:21]=[CH:22][CH:23]=2)[CH:7]2[CH:3]1[CH2:4][N:5]([C:8](=O)[CH2:9][CH2:10][C:11]1[S:12][CH:13]=[CH:14][C:15]=1[CH3:16])[CH2:6]2.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.C(=O)([O-])O.[Na+]>O1CCCC1.C(OCC)(=O)C>[CH3:1][C:2]1([C:18]2[CH:19]=[C:20]([NH:... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][C:12]2[CH:15]=[CH:16][C:17](Cl)=[CH:18][C:11]=2[C@H:10]([CH3:20])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[O:21]1[CH:25]=[CH:24][CH:23]=[C:22]1[Sn](CCCC)(CCCC)CCCC.[F-].[Cs+]>O1CCOCC1.CCOC(C)=O.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[C:1]([O:5][C:6]([... | 2 |
[C:1]([C:3]([C:13]#[N:14])=[CH:4][C:5]1[CH:12]=[CH:11][C:8]([CH:9]=[CH2:10])=[CH:7][CH:6]=1)#[N:2].C(O)C.[C-:18]#[N:19].[K+].Cl>O>[C:18]([CH:4]([C:5]1[CH:12]=[CH:11][C:8]([CH:9]=[CH2:10])=[CH:7][CH:6]=1)[CH:3]([C:1]#[N:2])[C:13]#[N:14])#[N:19] | 1 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][N:8]([S:12]([CH2:15][CH:16](O)[CH2:17][CH2:18][C:19]3[CH:20]=[N:21][CH:22]=[CH:23][CH:24]=3)(=[O:14])=[O:13])[CH2:9]2)=[CH:4][CH:3]=1.CCN(CC)CC.CS(Cl)(=O)=O>C1COCC1.C(Cl)Cl>[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][N:8]([S:12]([CH:15]=[CH:16][CH2:17][CH2:18][C:19]3[... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5]([OH:7])=O.S(Cl)(Cl)=O.[NH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[OH:23].C(N(C(C)C)CC)(C)C>C1COCC1>[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH3:11])[C:5]([NH:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[OH:23])=[O:7] | 1 |
[CH2:1]([C@H:3]([NH:10][C:11]([C:13]1[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[N:16]=[C:15]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[C:14]=1[OH:29])=[O:12])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)[CH3:2].C([O-])([O-])=O.[K+].[K+].Br[CH2:37][C:38]([NH2:40])=[O:39]>C1COCC1>[CH2:1]([C@H:3]([NH:10][C:11]([C:1... | 1 |
[CH3:1][N:2]1[CH2:10][C:9]2[C:4](=[CH:5][C:6](B3OC(C)(C)C(C)(C)O3)=[CH:7][CH:8]=2)[C:3]1=[O:20].Br[C:22]1[S:26][C:25]([CH:27]2OCC[O:28]2)=[CH:24][CH:23]=1>>[CH3:1][N:2]1[C:3](=[O:20])[C:4]2[C:9](=[CH:8][CH:7]=[C:6]([C:22]3[S:26][C:25]([CH:27]=[O:28])=[CH:24][CH:23]=3)[CH:5]=2)[CH2:10]1 | 2 |
CN.C1(COCC(=O)O1)=O>>CNC(=O)COCC(=O)O | 5 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.[N+](=O)([O-])C1=C(CBr)C=CC=C1>N(C)(C)C=O.ClCCl.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>[N+](=O)([O-])C1=C(CN2C(C3=CC=CC=C3C2=O)=O)C=CC=C1 | 3 |
[Si](C)(C)(C(C)(C)C)OCCC/C=C/C=1C(=NOC1C)C(=O)OC(C)(C)C>[HH].C(C)(=O)OCC.[Pd]>[Si](C)(C)(C(C)(C)C)OCCCCCC=1C(=NOC1C)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)OC=1C=CC2=C(C(=C(O2)C)C(=O)OCC)C1C#N>O.C1CCCO1.CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)OC=1C=CC2=C(C(=C(O2)C)C(=O)O)C1C#N | 3 |
ClC=1C=C(C=CC1)[C@@](CCCCOC)(O)[C@H]1CNCCC1.C(#N)NC(=S)N[C@H](CN(C(=O)OCC[Si](C)(C)C)C)CC1CCCCC1>N(C)(C)C=O.CCN=C=NCCCN(C)C>C(#N)N=C(N[C@H](CN(C(=O)OCC[Si](C)(C)C)C)CC1CCCCC1)N1C[C@@H](CCC1)[C@@](CCCCOC)(C1=CC=CC=C1)O | 3 |
[CH3:1][C:2]1[C:3]([C:11]([O:13][CH3:14])=[O:12])=[CH:4][S:5][C:6]=1[C:7](=[O:10])[CH2:8][CH3:9].N#N.[BH4-].[Na+]>C1COCC1>[OH:10][CH:7]([C:6]1[S:5][CH:4]=[C:3]([C:11]([O:13][CH3:14])=[O:12])[C:2]=1[CH3:1])[CH2:8][CH3:9] | 2 |
[C:1]1([NH:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[C:15]1[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][C:16]=1[CH3:22].CC(C)([O-])C.[Na+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C(P(C(C)(C)C)... | 2 |
COC(CCC1=CC=CC=C1)=O.C1(=CC=CC=C1)C1=CC(NC(=C1)C1=CC=CC=C1)=O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>COC(CCC1=C(C=CC=C1OCCCC(=O)OC(C)(C)C)CCCCCCOC1=NC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)=O | 3 |
COC=1C=CC(=C(C1)NCC(C)N)[N+](=O)[O-]>CCO[H].C(C)(=O)OCC.C(C)(=O)OC(C)=O>NC1=C(C=C(C=C1)OC)NCC(C)NC(C)=O | 3 |
C(CCC)NC1CC(NC(C1)(C)C)(C)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].ClC(=O)OCC>C(CCC)N(C(=O)OCC)C1CC(NC(C1)(C)C)(C)C | 3 |
[CH2:1]([N:7]([CH3:56])[C:8]([C@@H:10]1[CH2:14][C@H:13]([O:15][C:16]2[C:25]3[C:20](=[C:21]([CH3:28])[C:22]([O:26][CH3:27])=[CH:23][CH:24]=3)[N:19]=[C:18]([C:29]3[S:30][CH:31]=[C:32]([C:34]([F:37])([F:36])[F:35])[N:33]=3)[CH:17]=2)[CH2:12][N:11]1[C:38]([NH:40][C@:41]1([C:46](=[O:55])[NH:47][S:48]([C:51]2([CH3:54])[CH2:5... | 1 |
C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O.C(C)C=1C=C(C=CC1)O>>C(C)C1=CC2=C(C3(C(O2)(C2=CC=CC=C2C3=O)O)O)C=C1 | 5 |
C1(=CC=C(C=C1)S(=O)O)C.C(CC\C=C/CCC\C=C/CC)#N>COC1CCCC1>C(CCC=CCCCC=CCC)#N | 3 |
O1CCN(CC1)C1=CC=C(N)C=C1.ClC1=NC(=C2C(=N1)NN=C2S(=O)(=O)C)N[C@H]2CC[C@H](CC2)NC(OC(C)(C)C)=O>C(CCC)O>N[C@H]1CC[C@H](CC1)NC1=C2C(=NC(=N1)NC1=CC=C(C=C1)N1CCOCC1)NN=C2S(=O)(=O)C | 3 |
NC1=C(C=CC(=C1)C(NCCC1CC1)=O)N[C@H](CC(=O)O)C>CC#N.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>C1(CC1)CCNC(=O)C1=CC2=C(N[C@H](CC(N2)=O)C)C=C1 | 3 |
Cl.ON.C(#N)C=1C=C(C=O)C=CC1F>>C(#N)C=1C=C(C=NO)C=CC1F | 5 |
NC(C(=O)O)(C)C1=C(C=CC(=C1)Br)F>CO[H].ClS(Cl)=O>COC(C(C)(C1=C(C=CC(=C1)Br)F)N)=O | 3 |
BrC1=C(C#N)C(=CC=C1C)OCOC>O.BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC1=C(C#N)C(=CC=C1CBr)OCOC | 3 |
FC1=C(C=CC=C1F)[C@H]1CC=2C(=NC=CC2)\C=C/C1>O.C[N+]1(CCOCC1)[O-].CC(=O)C.[Os](=O)(=O)(=O)=O>FC1=C(C=CC=C1F)[C@H]1CC=2C(=NC=CC2)[C@@H]([C@@H](C1)O)O | 3 |
BrCC(=O)Br.Cl.C(C1=CC=CC=C1)N[C@@H](C)C1CCC1>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)N(C(CBr)=O)[C@@H](C)C1CCC1 | 3 |
ClC1=CC(=C(C=C1)N1CCC(=CC1)C1=C(C=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C)F>CO[H].[HH].[Pt](=O)=O>ClC1=CC(=C(C=C1)N1CCC(CC1)C1=C(C=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C)F | 3 |
IC1=CC=C(CBr)C=C1.FC1=C(SC=C1)C(/C(/C(=O)OCC)=N/N)=O>N(C)(C)C=O.[H-].[Na+]>IC1=CC=C(C=C1)CN1N=C(C(C2=C1C=CS2)=O)C(=O)OCC | 3 |
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